9-(1H-benzimidazol-2-ylsulfinyl)-4-methoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine;2-(1H-benzimidazol-2-ylsulfinylmethyl)-N-methyl-N-(2-methylpropyl)pyridin-3-amine;6-(difluoromethoxy)-2-[(3,4-dimethoxy-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;2-[[3-methoxy-4-(3-methoxypropoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole;2-[2-(4-methoxy-2-pyridinyl)-6-methylphenyl]sulfinyl-1H-benzimidazole;2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole

C123H127F5N22O18S7 — CID 157283557

About 9-(1H-benzimidazol-2-ylsulfinyl)-4-methoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine;2-(1H-benzimidazol-2-ylsulfinylmethyl)-N-methyl-N-(2-methylpropyl)pyridin-3-amine;6-(difluoromethoxy)-2-[(3,4-dimethoxy-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;2-[[3-methoxy-4-(3-methoxypropoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole;2-[2-(4-methoxy-2-pyridinyl)-6-methylphenyl]sulfinyl-1H-benzimidazole;2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole

9-(1H-benzimidazol-2-ylsulfinyl)-4-methoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine;2-(1H-benzimidazol-2-ylsulfinylmethyl)-N-methyl-N-(2-methylpropyl)pyridin-3-amine;6-(difluoromethoxy)-2-[(3,4-dimethoxy-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;2-[[3-methoxy-4-(3-methoxypropoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole;2-[2-(4-methoxy-2-pyridinyl)-6-methylphenyl]sulfinyl-1H-benzimidazole;2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole (PubChem CID 157283557) has the molecular formula C123H127F5N22O18S7 and a molecular weight of 2520.96 g/mol. Its IUPAC name is 9-(1H-benzimidazol-2-ylsulfinyl)-4-methoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine;2-(1H-benzimidazol-2-ylsulfinylmethyl)-N-methyl-N-(2-methylpropyl)pyridin-3-amine;6-(difluoromethoxy)-2-[(3,4-dimethoxy-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;2-[[3-methoxy-4-(3-methoxypropoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole;2-[2-(4-methoxy-2-pyridinyl)-6-methylphenyl]sulfinyl-1H-benzimidazole;2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole.

Molecular Properties

• Compound Name: 9-(1H-benzimidazol-2-ylsulfinyl)-4-methoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine;2-(1H-benzimidazol-2-ylsulfinylmethyl)-N-methyl-N-(2-methylpropyl)pyridin-3-amine;6-(difluoromethoxy)-2-[(3,4-dimethoxy-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;2-[[3-methoxy-4-(3-methoxypropoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole;2-[2-(4-methoxy-2-pyridinyl)-6-methylphenyl]sulfinyl-1H-benzimidazole;2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole
• PubChem CID: 157283557
• Molecular Formula: C123H127F5N22O18S7
• Molecular Weight: 2520.96 g/mol
• Exact Mass: 2518.77
• IUPAC Name: 9-(1H-benzimidazol-2-ylsulfinyl)-4-methoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine;2-(1H-benzimidazol-2-ylsulfinylmethyl)-N-methyl-N-(2-methylpropyl)pyridin-3-amine;6-(difluoromethoxy)-2-[(3,4-dimethoxy-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;2-[[3-methoxy-4-(3-methoxypropoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole;2-[2-(4-methoxy-2-pyridinyl)-6-methylphenyl]sulfinyl-1H-benzimidazole;2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole
• SMILES: CC(C)CN(C)c1cccnc1CS(=O)c1nc2ccccc2[nH]1.COCCCOc1ccnc(CS(=O)c2nc3ccccc3[nH]2)c1OC.COc1ccc2nc(S(=O)Cc3ncc(C)c(OC)c3C)[nH]c2c1.COc1ccnc(-c2cccc(C)c2S(=O)c2nc3ccccc3[nH]2)c1.COc1ccnc(CS(=O)c2nc3ccc(OC(F)F)cc3[nH]2)c1OC.COc1ccnc2c1CCCCC2S(=O)c1nc2ccccc2[nH]1.Cc1c(OCC(F)(F)F)ccnc1CS(=O)c1nc2ccccc2[nH]1
• InChI: InChI=1S/C20H17N3O2S.C18H22N4OS.C18H21N3O4S.C18H19N3O2S.C17H19N3O3S.C16H14F3N3O2S.C16H15F2N3O4S/c1-13-6-5-7-15(18-12-14(25-2)10-11-21-18)19(13)26(24)20-22-16-8-3-4-9-17(16)23-20;1-13(2)11-22(3)17-9-6-10-19-16(17)12-24(23)18-20-14-7-4-5-8-15(14)21-18;1-23-10-5-11-25-16-8-9-19-15(17(16)24-2)12-26(22)18-20-13-6-3-4-7-14(13)21-18;1-23-15-10-11-19-17-12(15)6-2-5-9-16(17)24(22)18-20-13-7-3-4-8-14(13)21-18;1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17;1-10-13(20-7-6-14(10)24-9-16(17,18)19)8-25(23)15-21-11-4-2-3-5-12(11)22-15;1-23-13-5-6-19-12(14(13)24-2)8-26(22)16-20-10-4-3-9(25-15(17)18)7-11(10)21-16/h3-12H,1-2H3,(H,22,23);4-10,13H,11-12H2,1-3H3,(H,20,21);3-4,6-9H,5,10-12H2,1-2H3,(H,20,21);3-4,7-8,10-11,16H,2,5-6,9H2,1H3,(H,20,21);5-8H,9H2,1-4H3,(H,19,20);2-7H,8-9H2,1H3,(H,21,22);3-7,15H,8H2,1-2H3,(H,20,21)
• InChIKey: AZYNQKVLXLDNGR-UHFFFAOYSA-N
• XLogP: 23.00
• TPSA: 515.25 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 33
• Rotatable Bonds: 39
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2520.96
LogP ≤ 5	23.00
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9-(1H-benzimidazol-2-ylsulfinyl)-4-methoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine;2-(1H-benzimidazol-2-ylsulfinylmethyl)-N-methyl-N-(2-methylpropyl)pyridin-3-amine;6-(difluoromethoxy)-2-[(3,4-dimethoxy-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;2-[[3-methoxy-4-(3-methoxypropoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole;2-[2-(4-methoxy-2-pyridinyl)-6-methylphenyl]sulfinyl-1H-benzimidazole;2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole?

The IUPAC name of 9-(1H-benzimidazol-2-ylsulfinyl)-4-methoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine;2-(1H-benzimidazol-2-ylsulfinylmethyl)-N-methyl-N-(2-methylpropyl)pyridin-3-amine;6-(difluoromethoxy)-2-[(3,4-dimethoxy-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;2-[[3-methoxy-4-(3-methoxypropoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole;2-[2-(4-methoxy-2-pyridinyl)-6-methylphenyl]sulfinyl-1H-benzimidazole;2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole (CID 157283557) is 9-(1H-benzimidazol-2-ylsulfinyl)-4-methoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine;2-(1H-benzimidazol-2-ylsulfinylmethyl)-N-methyl-N-(2-methylpropyl)pyridin-3-amine;6-(difluoromethoxy)-2-[(3,4-dimethoxy-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;2-[[3-methoxy-4-(3-methoxypropoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole;2-[2-(4-methoxy-2-pyridinyl)-6-methylphenyl]sulfinyl-1H-benzimidazole;2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole.

What is the SMILES notation for 9-(1H-benzimidazol-2-ylsulfinyl)-4-methoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine;2-(1H-benzimidazol-2-ylsulfinylmethyl)-N-methyl-N-(2-methylpropyl)pyridin-3-amine;6-(difluoromethoxy)-2-[(3,4-dimethoxy-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;2-[[3-methoxy-4-(3-methoxypropoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole;2-[2-(4-methoxy-2-pyridinyl)-6-methylphenyl]sulfinyl-1H-benzimidazole;2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole?

The canonical SMILES for 9-(1H-benzimidazol-2-ylsulfinyl)-4-methoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine;2-(1H-benzimidazol-2-ylsulfinylmethyl)-N-methyl-N-(2-methylpropyl)pyridin-3-amine;6-(difluoromethoxy)-2-[(3,4-dimethoxy-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;2-[[3-methoxy-4-(3-methoxypropoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole;2-[2-(4-methoxy-2-pyridinyl)-6-methylphenyl]sulfinyl-1H-benzimidazole;2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole is CC(C)CN(C)c1cccnc1CS(=O)c1nc2ccccc2[nH]1.COCCCOc1ccnc(CS(=O)c2nc3ccccc3[nH]2)c1OC.COc1ccc2nc(S(=O)Cc3ncc(C)c(OC)c3C)[nH]c2c1.COc1ccnc(-c2cccc(C)c2S(=O)c2nc3ccccc3[nH]2)c1.COc1ccnc(CS(=O)c2nc3ccc(OC(F)F)cc3[nH]2)c1OC.COc1ccnc2c1CCCCC2S(=O)c1nc2ccccc2[nH]1.Cc1c(OCC(F)(F)F)ccnc1CS(=O)c1nc2ccccc2[nH]1.

What is the InChIKey of 9-(1H-benzimidazol-2-ylsulfinyl)-4-methoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine;2-(1H-benzimidazol-2-ylsulfinylmethyl)-N-methyl-N-(2-methylpropyl)pyridin-3-amine;6-(difluoromethoxy)-2-[(3,4-dimethoxy-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;2-[[3-methoxy-4-(3-methoxypropoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole;2-[2-(4-methoxy-2-pyridinyl)-6-methylphenyl]sulfinyl-1H-benzimidazole;2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole?

The InChIKey is AZYNQKVLXLDNGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2S.C18H22N4OS.C18H21N3O4S.C18H19N3O2S.C17H19N3O3S.C16H14F3N3O2S.C16H15F2N3O4S/c1-13-6-5-7-15(18-12-14(25-2)10-11-21-18)19(13)26(24)20-22-16-8-3-4-9-17(16)23-20;1-13(2)11-22(3)17-9-6-10-19-16(17)12-24(23)18-20-14-7-4-5-8-15(14)21-18;1-23-10-5-11-25-16-8-9-19-15(17(16)24-2)12-26(22)18-20-13-6-3-4-7-14(13)21-18;1-23-15-10-11-19-17-12(15)6-2-5-9-16(17)24(22)18-20-13-7-3-4-8-14(13)21-18;1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17;1-10-13(20-7-6-14(10)24-9-16(17,18)19)8-25(23)15-21-11-4-2-3-5-12(11)22-15;1-23-13-5-6-19-12(14(13)24-2)8-26(22)16-20-10-4-3-9(25-15(17)18)7-11(10)21-16/h3-12H,1-2H3,(H,22,23);4-10,13H,11-12H2,1-3H3,(H,20,21);3-4,6-9H,5,10-12H2,1-2H3,(H,20,21);3-4,7-8,10-11,16H,2,5-6,9H2,1H3,(H,20,21);5-8H,9H2,1-4H3,(H,19,20);2-7H,8-9H2,1H3,(H,21,22);3-7,15H,8H2,1-2H3,(H,20,21).

What are the key properties of 9-(1H-benzimidazol-2-ylsulfinyl)-4-methoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine;2-(1H-benzimidazol-2-ylsulfinylmethyl)-N-methyl-N-(2-methylpropyl)pyridin-3-amine;6-(difluoromethoxy)-2-[(3,4-dimethoxy-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;2-[[3-methoxy-4-(3-methoxypropoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole;2-[2-(4-methoxy-2-pyridinyl)-6-methylphenyl]sulfinyl-1H-benzimidazole;2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole?

9-(1H-benzimidazol-2-ylsulfinyl)-4-methoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine;2-(1H-benzimidazol-2-ylsulfinylmethyl)-N-methyl-N-(2-methylpropyl)pyridin-3-amine;6-(difluoromethoxy)-2-[(3,4-dimethoxy-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;2-[[3-methoxy-4-(3-methoxypropoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole;2-[2-(4-methoxy-2-pyridinyl)-6-methylphenyl]sulfinyl-1H-benzimidazole;2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole has a molecular weight of 2520.96 g/mol, XLogP of 23.00, 39 rotatable bonds, 7 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(1H-benzimidazol-2-ylsulfinyl)-4-methoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine;2-(1H-benzimidazol-2-ylsulfinylmethyl)-N-methyl-N-(2-methylpropyl)pyridin-3-amine;6-(difluoromethoxy)-2-[(3,4-dimethoxy-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;2-[[3-methoxy-4-(3-methoxypropoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole;2-[2-(4-methoxy-2-pyridinyl)-6-methylphenyl]sulfinyl-1H-benzimidazole;2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole is sourced from PubChem (CID 157283557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).